SCHEMBL448162

SCHEMBL448162

COc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 2/20 0.43
APAF1 O14727 1/20 0.43
TDO2 P48775 2/20 0.41
IDO2 Q6ZQW0 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IDO1 P14902 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.39
PDE10A Q9Y233 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL449056 0.91 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPTKDM4ESMN1; SMN2
SCHEMBL449986 0.89 ALDH1A1 (0.53) ALDH1A1TP53L3MBTL1MAPTKDM4E
SCHEMBL448912 0.86 ALDH1A1 (0.53) ALDH1A1TP53L3MBTL1MAPTKDM4E
SCHEMBL450437 0.86 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPTKDM4ESMN1; SMN2
SCHEMBL451091 0.85 ALDH1A1 (0.51) ALDH1A1TP53L3MBTL1MAPTKDM4E
SCHEMBL450403 0.85 ALDH1A1 (0.56) ALDH1A1TP53L3MBTL1MAPTKDM4E
SCHEMBL453808 0.85 ALDH1A1 (0.56) ALDH1A1TP53L3MBTL1MAPTKDM4E
SCHEMBL451815 0.84 ALDH1A1 (0.52) ALDH1A1TP53L3MBTL1MAPTKDM4E
SCHEMBL451489 0.84 ALDH1A1 (0.52) ALDH1A1TP53L3MBTL1MAPTKDM4E
SCHEMBL450662 0.84 ALDH1A1 (0.48) ALDH1A1TP53L3MBTL1MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US claimed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US claimed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP claimed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US claimed
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US disclosed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US disclosed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP disclosed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885TP53 4381/4885L3MBTL1 4767/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885TP53 4381/4885L3MBTL1 4767/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.